HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=1713",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=1711",
"results": [
{
"id": "mp-1188506",
"created_at": "2022-09-04T14:45:09.974980Z",
"structure_string": "La12 Ir4\n1.0\n6.666738 0.000000 0.000000\n0.000000 7.451710 0.000000\n0.000000 0.000000 10.070425\nLa Ir\n12 4\ndirect\n0.329675 0.674016 0.067113 La\n0.170325 0.174016 0.432887 La\n0.670325 0.325984 0.567113 La\n0.829675 0.825984 0.932887 La\n0.670325 0.325984 0.932887 La\n0.829675 0.825984 0.567113 La\n0.329675 0.674016 0.432887 La\n0.170325 0.174016 0.067113 La\n0.858892 0.538092 0.250000 La\n0.641108 0.038092 0.250000 La\n0.141108 0.461908 0.750000 La\n0.358892 0.961908 0.750000 La\n0.063468 0.880937 0.250000 Ir\n0.436532 0.380937 0.250000 Ir\n0.936532 0.119063 0.750000 Ir\n0.563468 0.619063 0.750000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 8.084659982071889,
"density_atomic": 0.03198179612158326,
"volume": 500.2845974995829,
"volume_molar": 18.829901663765202,
"formula_full": "La12 Ir4",
"formula_reduced": "La3Ir",
"formula_anonymous": "AB3",
"energy": -102.40293532,
"energy_per_atom": -6.4001834575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.40293532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0201541,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.714000Z",
"spacegroup": 62
},
{
"id": "mp-286",
"created_at": "2022-09-04T14:45:28.939797Z",
"structure_string": "Yb1 Se1\n1.0\n0.000000 2.957919 2.957919\n2.957919 0.000000 2.957919\n2.957919 2.957919 0.000000\nYb Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Se"
],
"chemical_system": "Se-Yb",
"density": 8.084642334388915,
"density_atomic": 0.03864036043553188,
"volume": 51.75935155513956,
"volume_molar": 15.585105035568766,
"formula_full": "Yb1 Se1",
"formula_reduced": "YbSe",
"formula_anonymous": "AB",
"energy": -9.67905931,
"energy_per_atom": -4.839529655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20705931,
"band_gap": 1.9621,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.760000Z",
"spacegroup": 225
},
{
"id": "mp-1212250",
"created_at": "2022-09-04T14:40:14.397926Z",
"structure_string": "La6 Zn6 Ni12\n1.0\n2.654352 -4.597473 0.000000\n2.654352 4.597473 0.000000\n0.000000 0.000000 16.243868\nLa Zn Ni\n6 6 12\ndirect\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.543141 La\n0.666667 0.333333 0.456859 La\n0.666667 0.333333 0.043141 La\n0.333333 0.666667 0.956859 La\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.165832 0.331663 0.127002 Ni\n0.834168 0.668337 0.872998 Ni\n0.668337 0.834168 0.127002 Ni\n0.834168 0.668337 0.627002 Ni\n0.331663 0.165832 0.872998 Ni\n0.165832 0.331663 0.372998 Ni\n0.165832 0.834168 0.127002 Ni\n0.331663 0.165832 0.627002 Ni\n0.834168 0.165832 0.872998 Ni\n0.668337 0.834168 0.372998 Ni\n0.834168 0.165832 0.627002 Ni\n0.165832 0.834168 0.372998 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"La",
"Zn",
"Ni"
],
"chemical_system": "La-Ni-Zn",
"density": 8.08455227057704,
"density_atomic": 0.060536051687725675,
"volume": 396.45796729201373,
"volume_molar": 9.948023685233263,
"formula_full": "La6 Zn6 Ni12",
"formula_reduced": "LaZnNi2",
"formula_anonymous": "ABC2",
"energy": -114.57102136,
"energy_per_atom": -4.773792556666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.57102136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.093000Z",
"spacegroup": 194
},
{
"id": "mp-21440",
"created_at": "2022-09-04T14:44:19.398285Z",
"structure_string": "Nb3 Cr3 Ge3\n1.0\n3.384908 -5.862833 0.000000\n3.384908 5.862833 0.000000\n0.000000 0.000000 3.377340\nNb Cr Ge\n3 3 3\ndirect\n0.000000 0.595791 0.500000 Nb\n0.595791 0.000000 0.500000 Nb\n0.404209 0.404209 0.500000 Nb\n0.256274 0.000000 0.000000 Cr\n0.743726 0.743726 0.000000 Cr\n0.000000 0.256274 0.000000 Cr\n0.666667 0.333333 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"Ge"
],
"chemical_system": "Cr-Ge-Nb",
"density": 8.084538900587441,
"density_atomic": 0.06714030922492675,
"volume": 134.047639992975,
"volume_molar": 8.969486184261122,
"formula_full": "Nb3 Cr3 Ge3",
"formula_reduced": "NbCrGe",
"formula_anonymous": "ABC",
"energy": -75.52854787,
"energy_per_atom": -8.392060874444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.52854787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2302743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.467000Z",
"spacegroup": 189
},
{
"id": "mp-570203",
"created_at": "2022-09-04T14:48:10.770407Z",
"structure_string": "Mn8 Co8 Sb8\n1.0\n0.000000 5.784897 5.784897\n5.784897 0.000000 5.784897\n5.784897 5.784897 0.000000\nMn Co Sb\n8 8 8\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.120791 0.120791 0.120791 Co\n0.637627 0.120791 0.120791 Co\n0.120791 0.120791 0.637627 Co\n0.879209 0.362373 0.879209 Co\n0.120791 0.637627 0.120791 Co\n0.362373 0.879209 0.879209 Co\n0.879209 0.879209 0.362373 Co\n0.879209 0.879209 0.879209 Co\n0.250000 0.250000 0.250000 Sb\n0.268005 0.731995 0.268005 Sb\n0.268005 0.268005 0.731995 Sb\n0.731995 0.268005 0.268005 Sb\n0.268005 0.731995 0.731995 Sb\n0.731995 0.731995 0.268005 Sb\n0.731995 0.268005 0.731995 Sb\n0.750000 0.750000 0.750000 Sb\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Sb"
],
"chemical_system": "Co-Mn-Sb",
"density": 8.084535366858974,
"density_atomic": 0.0619861058855115,
"volume": 387.1835414911862,
"volume_molar": 9.71530744506343,
"formula_full": "Mn8 Co8 Sb8",
"formula_reduced": "MnCoSb",
"formula_anonymous": "ABC",
"energy": -167.54166515,
"energy_per_atom": -6.980902714583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.00566515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0022219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.514000Z",
"spacegroup": 225
},
{
"id": "mp-1201245",
"created_at": "2022-09-04T14:47:56.916700Z",
"structure_string": "Pr3 Cd33\n1.0\n9.468073 0.000000 0.000000\n0.000000 9.468073 0.000000\n0.000000 0.000000 9.468073\nPr Cd\n3 33\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.500000 0.000000 Pr\n0.500000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cd\n0.155447 0.155447 0.844553 Cd\n0.155447 0.844553 0.155447 Cd\n0.844553 0.155447 0.155447 Cd\n0.844553 0.844553 0.844553 Cd\n0.844553 0.844553 0.155447 Cd\n0.844553 0.155447 0.844553 Cd\n0.155447 0.844553 0.844553 Cd\n0.155447 0.155447 0.155447 Cd\n0.345474 0.345474 0.000000 Cd\n0.345474 0.000000 0.654526 Cd\n0.000000 0.345474 0.654526 Cd\n0.345474 0.654526 0.000000 Cd\n0.345474 0.000000 0.345474 Cd\n0.000000 0.654526 0.345474 Cd\n0.654526 0.345474 0.000000 Cd\n0.654526 0.000000 0.345474 Cd\n0.000000 0.345474 0.345474 Cd\n0.654526 0.654526 0.000000 Cd\n0.654526 0.000000 0.654526 Cd\n0.000000 0.654526 0.654526 Cd\n0.265484 0.265484 0.500000 Cd\n0.265484 0.500000 0.734516 Cd\n0.500000 0.265484 0.734516 Cd\n0.265484 0.734516 0.500000 Cd\n0.265484 0.500000 0.265484 Cd\n0.500000 0.734516 0.265484 Cd\n0.734516 0.265484 0.500000 Cd\n0.734516 0.500000 0.265484 Cd\n0.500000 0.265484 0.265484 Cd\n0.734516 0.734516 0.500000 Cd\n0.734516 0.500000 0.734516 Cd\n0.500000 0.734516 0.734516 Cd\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 8.084528025610918,
"density_atomic": 0.04241482774317384,
"volume": 848.7597832056214,
"volume_molar": 14.198196905253711,
"formula_full": "Pr3 Cd33",
"formula_reduced": "PrCd11",
"formula_anonymous": "AB11",
"energy": -50.08975648,
"energy_per_atom": -1.3913821244444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.08975648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.440000Z",
"spacegroup": 221
},
{
"id": "mp-4445",
"created_at": "2022-09-04T14:45:00.063071Z",
"structure_string": "Hg12 As4 O16\n1.0\n5.294838 0.000000 0.000000\n0.000000 9.331142 0.000000\n0.000000 8.027805 12.316968\nHg As O\n12 4 16\ndirect\n0.153963 0.453796 0.374248 Hg\n0.363922 0.729373 0.956271 Hg\n0.136078 0.729373 0.456271 Hg\n0.636078 0.270627 0.043729 Hg\n0.863922 0.270627 0.543729 Hg\n0.653963 0.546204 0.125752 Hg\n0.846037 0.546204 0.625752 Hg\n0.346037 0.453796 0.874248 Hg\n0.367149 0.962951 0.584973 Hg\n0.867149 0.037049 0.915027 Hg\n0.632851 0.037049 0.415027 Hg\n0.132851 0.962951 0.084973 Hg\n0.114810 0.228858 0.227178 As\n0.885190 0.771142 0.772822 As\n0.614810 0.771142 0.272822 As\n0.385190 0.228858 0.727178 As\n0.559979 0.763424 0.771116 O\n0.059979 0.236576 0.728884 O\n0.440021 0.236576 0.228884 O\n0.940021 0.763424 0.271116 O\n0.978063 0.776522 0.883830 O\n0.478063 0.223478 0.616170 O\n0.021937 0.223478 0.116170 O\n0.521937 0.776522 0.383830 O\n0.986677 0.953219 0.652969 O\n0.494505 0.592985 0.277332 O\n0.013323 0.046781 0.347031 O\n0.513323 0.953219 0.152969 O\n0.005495 0.592985 0.777332 O\n0.505495 0.407015 0.722668 O\n0.994505 0.407015 0.222668 O\n0.486677 0.046781 0.847031 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hg",
"As",
"O"
],
"chemical_system": "As-Hg-O",
"density": 8.0845120440501,
"density_atomic": 0.05258461392120732,
"volume": 608.5430245422879,
"volume_molar": 11.4522867259681,
"formula_full": "Hg12 As4 O16",
"formula_reduced": "Hg3AsO4",
"formula_anonymous": "AB3C4",
"energy": -135.17353458,
"energy_per_atom": -4.224172955625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.18153458,
"band_gap": 0.5021,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005096,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.877000Z",
"spacegroup": 14
},
{
"id": "mp-21181",
"created_at": "2022-09-04T14:40:53.442927Z",
"structure_string": "Yb4 Ni4 B16\n1.0\n3.370616 0.000000 0.000000\n0.000000 5.878166 0.000000\n0.000000 0.000000 11.402573\nYb Ni B\n4 4 16\ndirect\n0.000000 0.627827 0.349677 Yb\n0.000000 0.127827 0.150323 Yb\n0.000000 0.872173 0.849677 Yb\n0.000000 0.372173 0.650323 Yb\n0.000000 0.135551 0.411375 Ni\n0.000000 0.364449 0.911375 Ni\n0.000000 0.635551 0.088625 Ni\n0.000000 0.864449 0.588625 Ni\n0.500000 0.019935 0.690586 B\n0.500000 0.782081 0.184075 B\n0.500000 0.612249 0.952710 B\n0.500000 0.282081 0.315925 B\n0.500000 0.887751 0.452710 B\n0.500000 0.860551 0.032578 B\n0.500000 0.639449 0.532578 B\n0.500000 0.112249 0.547290 B\n0.500000 0.217919 0.815925 B\n0.500000 0.480065 0.190586 B\n0.500000 0.519935 0.809414 B\n0.500000 0.980065 0.309414 B\n0.500000 0.387751 0.047290 B\n0.500000 0.717919 0.684075 B\n0.500000 0.360551 0.467422 B\n0.500000 0.139449 0.967422 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"B"
],
"chemical_system": "B-Ni-Yb",
"density": 8.084480247967146,
"density_atomic": 0.10623246428584167,
"volume": 225.9196391737911,
"volume_molar": 5.6688327814707495,
"formula_full": "Yb4 Ni4 B16",
"formula_reduced": "YbNiB4",
"formula_anonymous": "ABC4",
"energy": -145.76873538,
"energy_per_atom": -6.073697307500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.76873538,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0154013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.247000Z",
"spacegroup": 55
},
{
"id": "mp-1210719",
"created_at": "2022-09-04T14:41:33.454589Z",
"structure_string": "Lu4 V4 O8\n1.0\n-3.058402 3.058402 5.663629\n3.058402 -3.058402 5.663629\n3.058402 3.058402 -5.663629\nLu V O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 Lu\n0.375000 0.625000 0.750000 Lu\n0.375000 0.625000 0.250000 Lu\n0.375000 0.125000 0.750000 Lu\n0.375000 0.125000 0.250000 V\n0.875000 0.125000 0.750000 V\n0.875000 0.125000 0.250000 V\n0.875000 0.625000 0.750000 V\n0.173947 0.415616 0.241669 O\n0.173947 0.932278 0.758331 O\n0.165616 0.423947 0.741669 O\n0.576053 0.834384 0.258331 O\n0.682278 0.423947 0.258331 O\n0.576053 0.317722 0.741669 O\n0.584384 0.826053 0.758331 O\n0.067722 0.826053 0.241669 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Lu",
"V",
"O"
],
"chemical_system": "Lu-O-V",
"density": 8.084046398664892,
"density_atomic": 0.07550505990323646,
"volume": 211.90632813886654,
"volume_molar": 7.975810849918769,
"formula_full": "Lu4 V4 O8",
"formula_reduced": "LuVO2",
"formula_anonymous": "ABC2",
"energy": -132.59048157,
"energy_per_atom": -8.286905098125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.29448157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2692214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.500000Z",
"spacegroup": 141
},
{
"id": "mp-19753",
"created_at": "2022-09-04T14:44:00.574636Z",
"structure_string": "Gd1 Si2 Pd2\n1.0\n-2.092997 2.092997 4.996925\n2.092997 -2.092997 4.996925\n2.092997 2.092997 -4.996925\nGd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.617078 0.617078 0.000000 Si\n0.382922 0.382922 0.000000 Si\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Si",
"Pd"
],
"chemical_system": "Gd-Pd-Si",
"density": 8.083969435680592,
"density_atomic": 0.057104452269888674,
"volume": 87.55884701194329,
"volume_molar": 10.545834029784558,
"formula_full": "Gd1 Si2 Pd2",
"formula_reduced": "Gd(SiPd)2",
"formula_anonymous": "AB2C2",
"energy": -39.85580528,
"energy_per_atom": -7.971161056,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.99780528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9868009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.173000Z",
"spacegroup": 139
},
{
"id": "mp-567723",
"created_at": "2022-09-04T14:42:17.333263Z",
"structure_string": "Nd1 Ni2 As2\n1.0\n-2.048605 2.048605 5.035146\n2.048605 -2.048605 5.035146\n2.048605 2.048605 -5.035146\nNd Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.367825 0.367825 0.000000 As\n0.632175 0.632175 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"As"
],
"chemical_system": "As-Nd-Ni",
"density": 8.083526548359709,
"density_atomic": 0.05915364195892057,
"volume": 84.52564938389196,
"volume_molar": 10.180507168404095,
"formula_full": "Nd1 Ni2 As2",
"formula_reduced": "Nd(NiAs)2",
"formula_anonymous": "AB2C2",
"energy": -29.63683983,
"energy_per_atom": -5.927367966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.63683983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014439,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.835000Z",
"spacegroup": 139
},
{
"id": "mp-674644",
"created_at": "2022-09-04T14:43:21.106058Z",
"structure_string": "Bi8 O12\n1.0\n6.908646 0.000000 0.000000\n-2.738325 7.152650 0.000000\n-0.001786 -2.578265 7.748191\nBi O\n8 12\ndirect\n0.801385 0.911492 0.882341 Bi\n0.175333 0.079770 0.620130 Bi\n0.038275 0.523273 0.485742 Bi\n0.585068 0.918668 0.407174 Bi\n0.819789 0.442623 0.935592 Bi\n0.281885 0.967312 0.085986 Bi\n0.550934 0.501076 0.554186 Bi\n0.360678 0.491434 0.057799 Bi\n0.397497 0.604849 0.349309 O\n0.816270 0.850996 0.586166 O\n0.382330 0.884932 0.660553 O\n0.478295 0.356372 0.779174 O\n0.475535 0.969356 0.843565 O\n0.163369 0.307822 0.500889 O\n0.623832 0.764130 0.114671 O\n0.708950 0.335705 0.379438 O\n0.164902 0.646975 0.019285 O\n0.889718 0.566546 0.729047 O\n0.265065 0.944754 0.368426 O\n0.957491 0.223914 0.896327 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.083446367760068,
"density_atomic": 0.05223598199560959,
"volume": 382.8778408278223,
"volume_molar": 11.528721256750105,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy": -110.93265143,
"energy_per_atom": -5.5466325715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.00065143,
"band_gap": 0.5305,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.594000Z",
"spacegroup": 1
}
]
}